2-(cyanomethyl)-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(cyanomethyl)-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(cyanomethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(cyanomethyl)-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(cyanomethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(cyanomethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CC#N)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CC#N)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C15H13N3O5/c1-8-11(14(19)20)12(9-3-2-6-18(23)7-9)13(15(21)22)10(17-8)4-5-16/h2-3,6-7,12,17H,4H2,1H3,(H,19,20)(H,21,22)